NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.1376 8.3349 116.7834 56.8355 64.8603 169.5512 5 L 3.4885 8.0306 128.6637 52.4536 39.5980 172.4251 6 K 4.6752 9.4270 122.2281 56.0384 34.7587 176.4467 7 K 4.5966 8.2285 116.9839 56.0605 34.9211 175.7569 8 G 4.3179 7.7778 107.1844 44.9295 0.0000 174.0301 9 V 4.3105 8.7251 121.5975 63.8933 33.4286 174.9988 10 F 3.9039 8.4902 109.4280 57.6346 37.5056 176.0237 11 V 3.3803 8.5416 124.4868 61.9871 29.8705 175.0755 12 D 4.4088 8.2443 125.2076 53.9277 41.9107 178.5109 13 D 4.2415 8.8018 122.6325 57.5692 41.1659 178.1664 14 H 4.4531 8.2418 110.3410 56.7550 27.8353 176.1496 15 L 4.2317 6.6237 120.4149 55.8504 41.3937 178.1615 16 L 3.8696 7.7455 118.4258 58.3291 42.0941 178.9373 17 E 3.9041 8.2347 119.0294 59.6252 29.3175 178.9061 18 K 4.1163 7.8501 116.1800 58.1718 32.6656 177.9724 19 V 3.8351 8.0183 118.6966 65.3635 31.7826 177.8270 20 L 4.0707 10.5551 118.8512 57.7337 41.6267 179.3137 21 E 3.9882 8.1371 117.5076 59.2011 29.3137 178.8476 22 L 4.0083 7.5035 119.8732 57.5129 41.9171 178.0139 23 N 4.5361 7.9542 116.0390 54.9798 39.4268 174.3954 24 A 3.9853 7.5955 122.5009 53.2463 16.9583 178.4580 25 K 3.7261 9.0942 118.5106 56.4173 30.8547 173.8192 26 G 3.9825 7.7622 112.9211 44.9054 0.0000 173.8018 27 E 4.7487 7.9112 127.0979 55.4825 29.6032 180.0793 28 K 4.5546 8.5494 131.2391 56.8285 31.3925 176.2404 29 R 4.4424 8.7872 119.1282 58.0049 35.1083 174.5326 30 L 3.6953 7.7655 120.2158 54.2105 41.7450 176.0148 31 I 4.4457 8.0108 124.5208 59.9142 41.2525 174.2231 32 K 4.5964 8.3856 128.7455 55.8537 33.8982 175.0627 33 T 4.2851 7.0493 114.2168 61.7918 71.5703 173.1851 34 W 4.9550 9.1872 120.6709 56.4365 30.4640 176.0959 35 S 4.8236 8.2946 114.0264 57.9993 62.5423 175.9502 36 R 4.0935 8.2315 117.8428 59.1847 29.3693 177.6361 37 R 4.4036 7.9280 114.2161 56.7091 30.3632 176.0402 38 S 4.5475 8.5500 115.4334 57.7781 65.8097 173.0573 39 T 4.7914 7.6701 115.8689 62.0170 70.6515 174.6102 40 I 4.0896 8.1144 124.4727 60.7610 38.2093 175.9371 41 V 4.1538 8.1430 126.3700 60.2650 32.8661 173.2980 42 P 4.4071 0.0000 0.0000 64.4350 31.3339 176.2538 43 E 3.9692 8.9854 121.2483 56.6418 28.6359 174.9585 44 M 4.5445 7.7178 116.3696 56.1972 31.5677 176.8669 45 V 4.2591 6.6073 112.4013 61.9010 32.1590 177.5639 46 G 3.6842 7.9980 110.6897 45.8039 0.0000 174.2154 47 H 4.5797 6.7190 117.6017 53.6130 26.0654 173.6473 48 T 3.8008 7.5579 110.6702 62.5356 69.8893 174.1929 49 I 4.8759 8.5553 127.9261 58.0278 38.3079 175.3974 50 A 4.7649 8.4166 129.8106 51.9662 19.2369 176.1064 51 V 4.2582 8.3705 122.4834 61.4980 34.2058 174.3667 52 Y 5.4454 8.2974 127.0320 56.5408 39.4866 174.8741 53 N 4.8382 7.9615 117.7640 51.0254 38.9970 174.4346 54 G 3.8112 6.2415 106.1756 45.4595 0.0000 173.9877 55 K 4.2567 7.2265 118.1728 57.1580 34.2552 175.2819 56 Q 4.5474 7.2954 113.0743 55.8716 32.1266 171.3721 57 H 5.0774 8.6088 116.7363 54.5582 30.4212 175.4465 58 V 3.7769 9.1892 119.6471 60.2625 32.1674 174.8360 59 P 4.9156 0.0000 0.0000 63.0650 28.5135 174.2866 60 V 4.1591 7.6801 126.1998 61.3143 33.5356 176.2287 61 Y 4.7384 8.5575 126.9368 57.6631 40.4645 174.4403 62 I 4.2870 6.5031 119.9130 60.0911 41.1911 173.4059 63 T 4.9341 8.4305 122.8267 60.2938 70.7070 174.6274 64 E 3.7343 8.5920 124.9151 59.5294 30.3717 178.0643 65 N 4.3473 8.3763 116.4612 55.5899 38.6761 174.6615 66 M 4.7996 8.8862 116.3750 53.6827 32.2299 174.3956 67 V 4.4336 7.9430 123.3992 64.1278 37.0349 176.0324 68 G 3.7395 7.9642 105.6092 46.9952 0.0000 172.5772 69 H 4.9717 8.3934 118.9571 54.5306 30.6627 173.9067 70 K 5.3919 8.1987 118.6442 53.9379 33.9444 178.1251 71 L 4.3837 8.6097 121.9603 57.1323 42.1565 179.9224 72 G 3.6995 8.2342 107.6948 48.0281 0.0000 175.5379 73 E 3.5420 7.8721 118.7437 59.2355 29.4535 178.5479 74 F 4.2094 7.7857 114.1513 58.2605 39.3554 174.9977 75 A 4.7196 8.5504 125.7283 49.3510 20.4616 174.2554 76 P 4.5422 0.0000 0.0000 62.2506 32.4300 176.4201 77 T 3.9426 8.6799 113.9687 64.2123 69.1580 175.0818 78 R 4.4980 7.6317 119.1976 54.5644 32.0674 175.2073 79 T 4.5465 8.3481 114.8847 63.5192 71.4360 174.1205 80 Y 3.9560 8.7626 123.6057 58.2694 35.8933 167.7817 81 R 4.1600 7.2502 119.0198 54.9268 32.7511 177.5830 *82 G 3.7274 8.4036 106.7060 46.2772 0.0000 172.7793 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 S 8.33 4.14 0.00 3.87 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.03 3.49 0.00 2.02 2.06 1.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.43 4.68 0.00 1.82 1.86 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.37 7.81 7 K 8.23 4.60 0.00 1.71 1.86 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.46 7.81 8 G 7.78 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.73 4.31 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.95 0.00 0.00 10 F 8.49 3.90 0.00 3.33 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.54 3.38 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.85 0.00 0.00 12 D 8.24 4.41 0.00 2.67 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.80 4.24 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.24 4.45 0.00 3.30 3.41 0.00 5.51 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 6.62 4.23 0.00 1.59 1.53 0.89 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.75 3.87 0.00 1.69 1.72 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.23 3.90 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 18 K 7.85 4.12 0.00 1.93 1.85 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.53 7.81 19 V 8.02 3.84 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.87 0.00 0.00 20 L 10.56 4.07 0.00 1.71 1.68 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.14 3.99 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 22 L 7.50 4.01 0.00 1.93 1.71 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.95 4.54 0.00 2.80 3.13 0.00 0.00 7.16 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.60 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.09 3.73 0.00 2.06 1.96 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.42 7.81 26 G 7.76 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.91 4.75 0.00 1.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 28 K 8.55 4.55 0.00 1.74 1.61 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.37 7.81 29 R 8.79 4.44 0.00 1.84 2.01 0.00 3.13 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 30 L 7.77 3.70 0.00 1.62 1.66 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.01 4.45 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.09 0.95 0.00 0.00 32 K 8.39 4.60 0.00 1.42 1.07 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.63 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 1.30 7.81 33 T 7.05 4.29 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 34 W 9.19 4.96 0.00 3.36 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.29 4.82 0.00 4.04 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.23 4.09 0.00 2.10 2.34 0.00 3.07 0.00 0.00 3.50 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.74 0.00 37 R 7.93 4.40 0.00 2.09 2.20 0.00 3.28 0.00 0.00 3.41 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 38 S 8.55 4.55 0.00 3.77 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.67 4.79 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 40 I 8.11 4.09 2.16 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.79 0.88 0.00 0.00 41 V 8.14 4.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.86 0.00 0.00 42 P 0.00 4.41 0.00 2.06 1.97 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 43 E 8.99 3.97 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 44 M 7.72 4.54 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 45 V 6.61 4.26 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.85 0.00 0.00 46 G 8.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 H 6.72 4.58 0.00 3.24 3.16 0.00 5.68 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.56 3.80 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 49 I 8.56 4.88 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.64 0.96 0.00 0.00 50 A 8.42 4.76 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.37 4.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.99 0.00 0.00 52 Y 8.30 5.45 0.00 2.57 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 7.96 4.84 0.00 2.77 2.74 0.00 0.00 6.23 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 6.24 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.23 4.26 0.00 1.55 1.62 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.39 7.81 56 Q 7.30 4.55 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.54 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 57 H 8.61 5.08 0.00 3.01 3.17 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.19 3.78 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 1.02 0.00 0.00 59 P 0.00 4.92 0.00 2.08 2.10 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 60 V 7.68 4.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.88 0.00 0.00 61 Y 8.56 4.74 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 6.50 4.29 1.61 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.73 0.70 0.00 0.00 63 T 8.43 4.93 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 64 E 8.59 3.73 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 65 N 8.38 4.35 0.00 2.79 3.03 0.00 0.00 6.78 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 M 8.89 4.80 0.00 2.31 2.46 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.73 0.00 67 V 7.94 4.43 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.98 0.00 0.00 68 G 7.96 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.39 4.97 0.00 3.55 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.20 5.39 0.00 1.85 2.04 0.00 2.04 0.00 0.00 1.98 0.00 0.00 3.37 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.51 1.65 7.81 71 L 8.61 4.38 0.00 1.78 1.77 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.23 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.87 3.54 0.00 1.75 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 74 F 7.79 4.21 0.00 3.42 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.55 4.72 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.54 0.00 2.18 2.06 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 77 T 8.68 3.94 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 78 R 7.63 4.50 0.00 1.83 1.93 0.00 3.17 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 79 T 8.35 4.55 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 80 Y 8.76 3.96 0.00 2.87 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.25 4.16 0.00 1.78 1.82 0.00 3.46 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 *82 G 8.40 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.